1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone

C24H23NO2S — CID 20621349

IUPAC1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1C(Cc2ccccc2)OCC1c1ccccc1
InChIInChI=1S/C24H23NO2S/c26-23(18-28-21-14-8-3-9-15-21)25-22(20-12-6-2-7-13-20)17-27-24(25)16-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2
InChIKeyRWVFBEUJNMDUEL-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.95
Rot. Bonds6

About 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone

1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone (PubChem CID 20621349) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone
PubChem CID20621349
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1C(Cc2ccccc2)OCC1c1ccccc1
InChIInChI=1S/C24H23NO2S/c26-23(18-28-21-14-8-3-9-15-21)25-22(20-12-6-2-7-13-20)17-27-24(25)16-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2
InChIKeyRWVFBEUJNMDUEL-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355289
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355287
1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 63909611
(E)-1-[(2S,4S)-2,4-dibenzyl-1,3-oxazolidin-3-yl]but-2-en-1-one
CID 139054022
(3R,6R,8aS)-6-benzyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102383128
(2R,4R)-3-benzyl-4-phenyl-2-(2-phenylethyl)-1,3-oxazolidine
CID 11067883
potassium 2-phenylsulfanylacetate
CID 23690750
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
1-(2-phenylsulfanylacetyl)pyrazolidin-3-one
CID 1487862

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone (CID 20621349) is 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1C(Cc2ccccc2)OCC1c1ccccc1.
What is the InChIKey of 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone?
The InChIKey is RWVFBEUJNMDUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c26-23(18-28-21-14-8-3-9-15-21)25-22(20-12-6-2-7-13-20)17-27-24(25)16-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2.
What are the key properties of 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone?
1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone has a molecular weight of 389.52 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 20621349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).